SCHEMBL6498

SCHEMBL6498

CC(C)(C)CNC(=O)c1cccc(Br)n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
GRM5 P41594 1/20 0.52
CNR2 P34972 3/20 0.43
CTSA P10619 1/20 0.43
LMNA P02545 1/20 0.43
P2RX7 Q99572 2/20 0.42
ACKR3 P25106 1/20 0.41
CNR1 P21554 1/20 0.41
ADORA2A P29274 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30469338 0.86 ALDH1A1 (0.60) ALDH1A1HPGDGRM5CTSALMNA
SCHEMBL31431975 0.84 KDM4E (0.55) ALDH1A1HPGDCNR2LMNA
SCHEMBL1037003 0.83 ALDH1A1 (0.65) ALDH1A1HPGDGRM5CTSALMNA
SCHEMBL29987747 0.81 ALDH1A1 (0.55) ALDH1A1HPGDGRM5CTSALMNA
SCHEMBL2768873 0.80 GRM5 (0.55) ALDH1A1HPGDGRM5CNR2CTSA
SCHEMBL14371962 0.80 ALDH1A1 (0.65) ALDH1A1HPGDGRM5CTSALMNA
SCHEMBL18376131 0.80 ALDH1A1 (0.65) ALDH1A1HPGDGRM5CTSALMNA
SCHEMBL4088050 0.79 ALDH1A1 (0.60) ALDH1A1HPGDGRM5CTSALMNA
SCHEMBL10052381 0.79 CNR2 (0.56) ALDH1A1HPGDCNR2CTSACNR1
SCHEMBL20289343 0.79 ALDH1A1 (0.52) ALDH1A1HPGDGRM5LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090573-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
WO-2014157382-A1 SPHINGOSINE KINASE INHIBITOR 味の素株式会社 (JP) 2014-10-02 WO disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ALDH1A1 3726/4885HPGD 1947/4885GRM5 252/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 ALDH1A1 3726/4885HPGD 1947/4885GRM5 252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.